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Disproportionation and Spin Ordering Tendencies in NaxCoO2 AT x = 1/3

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New Challenges in Superconductivity: Experimental Advances and Emerging Theories

Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry ((NAII,volume 183))

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Abstract

The strength and effect of Coulomb correlations in the (superconducting when hydrated) x ≈ 1/3 regime of NaxCoO2 have been evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum fluctuations, are: (1) there is a critical Uc = 3 eV, above which charge ordering occurs at x = 1/3, (2) in this charge-ordered state, antiferromagnetic coupling is favored over ferromagnetic, while below Uc, ferromagnetism is favored; and (3) carrier conduction behavior should be very asymmetric for dopings away from x = 1/3. For x < 1/3, correlated hopping of parallel spin pairs is favored, suggesting a triplet superconducting phase.

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Author information

Authors and Affiliations

  1. Department of Physics, University of California, Davis, CA, 95616

    J. Kunes, K.-W. Lee & W. E. Pickett

  2. Institute of Physics, Academy of Sciences, Cukrovarnicka 10, CZ-162 53, Prague, Czech Republic

    J. Kunes

Authors
  1. J. Kunes
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  2. K.-W. Lee
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  3. W. E. Pickett
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Editor information

Editors and Affiliations

  1. University of Miami, FL, USA

    J. Ashkenazi , Joshua L. Cohn  & Fulin Zuo ,  & 

  2. Kazan State University, Kazan, Russian Federation

    Mikhail V. Eremin

  3. Freie Universität Berlin, Germany

    Ilya Eremin

  4. Max-Planck-Institute for Solid State Research, Stuttgart, Germany

    Dirk Manske

  5. EPFL, Institute of Physics of Complex Matter, Lausanne, Switzerland

    Davor Pavuna

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Kunes, J., Lee, KW., Pickett, W.E. (2005). Disproportionation and Spin Ordering Tendencies in NaxCoO2 AT x = 1/3. In: Ashkenazi, J., et al. New Challenges in Superconductivity: Experimental Advances and Emerging Theories. NATO Science Series II: Mathematics, Physics and Chemistry, vol 183. Springer, Dordrecht. https://doi.org/10.1007/1-4020-3085-1_34

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